4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

C19H17N5O2S — CID 22517810

IUPAC4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nn3c(-c4ccccc4C)nnc3s2)cc1
InChIInChI=1S/C19H17N5O2S/c1-3-26-14-10-8-13(9-11-14)17(25)20-18-23-24-16(21-22-19(24)27-18)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,20,23,25)
InChIKeyULLHJSWRRAJQRV-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.81
Rot. Bonds5

About 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide (PubChem CID 22517810) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
PubChem CID22517810
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2nn3c(-c4ccccc4C)nnc3s2)cc1
InChIInChI=1S/C19H17N5O2S/c1-3-26-14-10-8-13(9-11-14)17(25)20-18-23-24-16(21-22-19(24)27-18)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,20,23,25)
InChIKeyULLHJSWRRAJQRV-UHFFFAOYSA-N
XLogP3.81
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide with MolForge

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Related Compounds

4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517740
4-ethoxy-N-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017641
4-ethoxy-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017646
4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517739
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
4-butoxy-N-[[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 17103050
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-ethoxy-N-[6-[(4-ethoxybenzoyl)amino]-2-pyridinyl]benzamide
CID 4204904

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide (CID 22517810) is 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide is CCOc1ccc(C(=O)Nc2nn3c(-c4ccccc4C)nnc3s2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?
The InChIKey is ULLHJSWRRAJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-3-26-14-10-8-13(9-11-14)17(25)20-18-23-24-16(21-22-19(24)27-18)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,20,23,25).
What are the key properties of 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide?
4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide has a molecular weight of 379.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide is sourced from PubChem (CID 22517810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).